N-(2-pyrazol-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine

C12H18F3N3 — CID 64754070

IUPACN-(2-pyrazol-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCCn2cccn2)CC1
InChIInChI=1S/C12H18F3N3/c13-12(14,15)10-2-4-11(5-3-10)16-7-9-18-8-1-6-17-18/h1,6,8,10-11,16H,2-5,7,9H2
InChIKeyWWLDSAZKLJXPCQ-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.59
Rot. Bonds4

About N-(2-pyrazol-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(2-pyrazol-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64754070) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64754070
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN-(2-pyrazol-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCCn2cccn2)CC1
InChIInChI=1S/C12H18F3N3/c13-12(14,15)10-2-4-11(5-3-10)16-7-9-18-8-1-6-17-18/h1,6,8,10-11,16H,2-5,7,9H2
InChIKeyWWLDSAZKLJXPCQ-UHFFFAOYSA-N
XLogP2.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(2-pyrazol-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64754070) is N-(2-pyrazol-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-pyrazol-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2-pyrazol-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCC(NCCn2cccn2)CC1.
What is the InChIKey of N-(2-pyrazol-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is WWLDSAZKLJXPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c13-12(14,15)10-2-4-11(5-3-10)16-7-9-18-8-1-6-17-18/h1,6,8,10-11,16H,2-5,7,9H2.
What are the key properties of N-(2-pyrazol-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(2-pyrazol-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64754070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).